6ZQ4

Crystal structure of Chaetomium thermophilum Glycerol Kinase in complex with substrate in P1 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	61.380, 112.820, 179.540
Unit cell angles	85.77, 90.04, 85.45

Refinement procedure

Resolution	23.010 - 2.020
R-factor	0.2058
Rwork	0.205
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d4w
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	23.010	23.010	2.070
High resolution limit [Å]	2.020	9.020	2.020
Rmerge	0.219	0.109	1.474
Rmeas	0.237	0.117	1.717
Total number of observations	1906807
Number of reflections	307534	3484	19548
<I/σ(I)>	4.85	12.48	0.74
Completeness [%]	97.4	98.8	83.6
Redundancy	6.2	6.864	3.678
CC(1/2)	0.991	0.993	0.269

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.125-0.3 M CaCl2; 16-19% PEG 3350